Sugi Predict

Sugi Predict / Compounds / SCHEMBL16728346

SCHEMBL16728346

SCHEMBL16728346

CCOC(=O)[C@H]1[C@H]2CC[C@H](CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 13/20 0.79
▸ GSK3B P49841 13/20 0.79
▸ FLT3 P36888 11/20 0.77
▸ JAK2 O60674 7/20 0.77
▸ SRC P12931 6/20 0.77
▸ PIK3CG P48736 10/20 0.66
▸ PIK3CD O00329 6/20 0.66
▸ PLK1 P53350 6/20 0.66
▸ ROCK2 O75116 5/20 0.66
▸ ROCK1 Q13464 5/20 0.66
▸ PRKACA P17612 5/20 0.66
▸ KDR P35968 4/20 0.66
▸ IRAK4 Q9NWZ3 2/20 0.66
▸ CDK2 P24941 1/20 0.66
▸ PIK3CA P42336 4/20 0.64
▸ PIK3CB P42338 2/20 0.64
▸ SYK P43405 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16728443 1.00 GSK3A (0.79) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL17771537 0.92 GSK3A (0.66) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL9941828 0.91 GSK3A (0.84) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL17771540 0.91 GSK3A (0.84) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL17771534 0.91 GSK3A (0.84) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL24119707 0.91 GSK3A (0.78) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL21658526 0.91 GSK3A (0.78) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL23682323 0.89 GSK3A (0.83) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL18053179 0.89 GSK3A (0.86) GSK3AGSK3BFLT3JAK2SRC
SCHEMBL18053349 0.89 GSK3A (0.86) GSK3AGSK3BFLT3JAK2SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-31 — — US disclosed
US-20210008072-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED 2021-01-14 — — US disclosed
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2020-07-02 — — US disclosed
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-05 — — US disclosed
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 — — US disclosed
EP-3068782-B1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMA (US) 2018-05-23 — — EP disclosed
US-9771361-B2 Inhibitors of influenza viruses replication VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-26 — — US disclosed
US-20160250213-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 — — US disclosed
US-20160251353-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 — — US disclosed
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED 2016-09-01 — — US disclosed
WO-2015073491-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 — — WO disclosed
WO-2015073476-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 — — WO disclosed
WO-2015073481-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210008072-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS H1-0, H1-5, H1-2 GSK3A 1966/4885GSK3B 2194/4885FLT3 2993/4885
US-20160251353-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION CLIC1, NHERF1, ZC3HAV1 GSK3A 3657/4885GSK3B 3607/4885FLT3 1329/4885
US-20160250213-A1 FORMULATIONS OF AZAINDOLE COMPOUNDS H1-0, H1-5, H1-2 GSK3A 1966/4885GSK3B 2194/4885FLT3 2993/4885
US-10023569-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885FLT3 1019/4885
US-10640501-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885FLT3 1019/4885
US-11345700-B2 Methods of preparing inhibitors of influenza viruses replication ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885FLT3 1019/4885
US-20160251354-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885FLT3 1019/4885
US-20200207765-A1 METHODS OF PREPARING INHIBITORS OF INFLUENZA VIRUSES REPLICATION ZC3HAV1, ZC3HAV1L, POLR2H GSK3A 560/4885GSK3B 517/4885FLT3 1019/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.